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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 1' and Ligand = 'BDBM50276487'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50276487
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-((1-(2-methoxy...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C33H44N4O3/c1-22(2)27-19-25(34)20-28(23(3)4)31(27)36-32(38)35-21-33(24-10-9-11-26(18-24)39-5)14-16-37(17-15-33)29-12-7-8-13-30(29)40-6/h7-13,18-20,22-23H,14-17,21,34H2,1-6H3,(H2,35,36,38)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in rat macrophages assessed as incorporation of extracellular [3H]-oleic acid-BSA complex into the intracellular cholesteryl ester...


Bioorg Med Chem 17: 4636-46 (2009)


Article DOI: 10.1016/j.bmc.2009.04.059
BindingDB Entry DOI: 10.7270/Q24M94KR
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50276487
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-((1-(2-methoxy...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C33H44N4O3/c1-22(2)27-19-25(34)20-28(23(3)4)31(27)36-32(38)35-21-33(24-10-9-11-26(18-24)39-5)14-16-37(17-15-33)29-12-7-8-13-30(29)40-6/h7-13,18-20,22-23H,14-17,21,34H2,1-6H3,(H2,35,36,38)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells


Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair